2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine

C11H15N5 — CID 63989978

IUPAC2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
SMILESCCn1cc(CC(N)c2ccncn2)cn1
InChIInChI=1S/C11H15N5/c1-2-16-7-9(6-15-16)5-10(12)11-3-4-13-8-14-11/h3-4,6-8,10H,2,5,12H2,1H3
InChIKeyLYUCGPSNPXWQRD-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.94
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine

2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine (PubChem CID 63989978) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
PubChem CID63989978
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
SMILESCCn1cc(CC(N)c2ccncn2)cn1
InChIInChI=1S/C11H15N5/c1-2-16-7-9(6-15-16)5-10(12)11-3-4-13-8-14-11/h3-4,6-8,10H,2,5,12H2,1H3
InChIKeyLYUCGPSNPXWQRD-UHFFFAOYSA-N
XLogP0.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989977
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
CID 62126098
2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105115043
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanamine
CID 62716130
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
CID 63988738
2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 105406178
1-(2,6-dimethyl-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107503308
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
2-(1-ethylpyrazol-4-yl)-1-(3-iodophenyl)ethanamine
CID 115822187
N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989998
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine (CID 63989978) is 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine is CCn1cc(CC(N)c2ccncn2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine?
The InChIKey is LYUCGPSNPXWQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-16-7-9(6-15-16)5-10(12)11-3-4-13-8-14-11/h3-4,6-8,10H,2,5,12H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine?
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine has a molecular weight of 217.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63989978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).